N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide

C23H31N3O5S — CID 30271280

IUPACN-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O5S/c1-5-6-15-24-23(28)20-9-7-8-10-21(20)25-22(27)16-26(32(4,29)30)18-11-13-19(14-12-18)31-17(2)3/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyVJCPMNOGOGQSHA-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.41
Rot. Bonds11

About N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide

N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide (PubChem CID 30271280) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide
PubChem CID30271280
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O5S/c1-5-6-15-24-23(28)20-9-7-8-10-21(20)25-22(27)16-26(32(4,29)30)18-11-13-19(14-12-18)31-17(2)3/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyVJCPMNOGOGQSHA-UHFFFAOYSA-N
XLogP3.41
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzamide
CID 30271289
N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30264709
N-butyl-2-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 21372544
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-propylbenzamide
CID 30271239
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 30271328
N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 21372765
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513
2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 1320723
N-butyl-2-[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301813
N-butyl-2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126276494
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 30271390
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide (CID 30271280) is N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The InChIKey is VJCPMNOGOGQSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-5-6-15-24-23(28)20-9-7-8-10-21(20)25-22(27)16-26(32(4,29)30)18-11-13-19(14-12-18)31-17(2)3/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide?
N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide has a molecular weight of 461.58 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 30271280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).